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Substance Name: 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, sodium salt
RN: 94200-20-1
InChIKey: WMFARQZCMUXJBA-UHFFFAOYSA-M

Molecular Formula

  • C33-H44-N6-O10-S4.Na

Molecular Weight

  • 834.9887
 
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Names and Synonyms

Synonym

  • EINECS 303-495-4

Systematic Name

  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-5-(1-pyrrolidinylsulfonyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, sodium salt

Registry Numbers

CAS Registry Number

  • 94200-20-1

System Generated Number

  • 0094200201

Molecular Formulas

Molecular Formula

  • C33-H44-N6-O10-S4.Na

Molecular Formula Fragments

  • C33-H44-N6-O10-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H44N6O10S4.Na/c1-34-28-14-12-26(52(46,47)36-16-3-4-17-36)24-30(28)38(20-8-22-50(40,41)42)32(34)10-7-11-33-35(2)29-15-13-27(53(48,49)37-18-5-6-19-37)25-31(29)39(33)21-9-23-51(43,44)45;/h7,10-15,24-25H,3-6,8-9,16-23H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1

InChIKey

WMFARQZCMUXJBA-UHFFFAOYSA-M

Smiles

[n+]1(c(n(c2c1cc(S(=O)(=O)N1CCCC1)cc2)C)/C=C/C=c1\n(c2c(n1C)ccc(S(=O)(=O)N1CCCC1)c2)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]